6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide

C26H28Cl2N4O2 — CID 90386351

IUPAC6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Cl)nc1NC1CCN(C(CCO)c2ccccc2)CC1
InChIInChI=1S/C26H28Cl2N4O2/c27-19-7-4-8-21(17-19)30-26(34)22-9-10-24(28)31-25(22)29-20-11-14-32(15-12-20)23(13-16-33)18-5-2-1-3-6-18/h1-10,17,20,23,33H,11-16H2,(H,29,31)(H,30,34)
InChIKeyMQHLVDJPSBPBAH-UHFFFAOYSA-N
MW499.44 g/mol
LogP5.64
Rot. Bonds8

About 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide

6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 90386351) has the molecular formula C26H28Cl2N4O2 and a molecular weight of 499.44 g/mol. Its IUPAC name is 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide
PubChem CID90386351
Molecular FormulaC26H28Cl2N4O2
Molecular Weight499.44 g/mol
Exact Mass498.16
IUPAC Name6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc(Cl)nc1NC1CCN(C(CCO)c2ccccc2)CC1
InChIInChI=1S/C26H28Cl2N4O2/c27-19-7-4-8-21(17-19)30-26(34)22-9-10-24(28)31-25(22)29-20-11-14-32(15-12-20)23(13-16-33)18-5-2-1-3-6-18/h1-10,17,20,23,33H,11-16H2,(H,29,31)(H,30,34)
InChIKeyMQHLVDJPSBPBAH-UHFFFAOYSA-N
XLogP5.64
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.44
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-benzylpiperidin-4-yl)amino]-6-chloro-N-(3-chlorophenyl)-5-fluoropyridine-3-carboxamide
CID 71495154
N-(3-chlorophenyl)-2-[[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]amino]pyridine-3-carboxamide
CID 71496162
N-phenyl-1-(1-phenylbutyl)piperidin-4-amine
CID 70111366
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935
N-(3-chlorophenyl)-2-ethylsulfanylbenzamide
CID 4631179
6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537177
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2-phenylbutanoyl)piperazin-1-yl]acetamide
CID 46027501
2-[(1-benzylpiperidin-4-yl)amino]-N-(3-methylphenyl)pyridine-3-carboxamide
CID 90394099
N-(3-chlorophenyl)-N'-(1-cyclopropyl-3-hydroxypropyl)oxamide
CID 111798802
2-N-(3-chlorophenyl)-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093921
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide (CID 90386351) is 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc(Cl)nc1NC1CCN(C(CCO)c2ccccc2)CC1.
What is the InChIKey of 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
The InChIKey is MQHLVDJPSBPBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O2/c27-19-7-4-8-21(17-19)30-26(34)22-9-10-24(28)31-25(22)29-20-11-14-32(15-12-20)23(13-16-33)18-5-2-1-3-6-18/h1-10,17,20,23,33H,11-16H2,(H,29,31)(H,30,34).
What are the key properties of 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide?
6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 499.44 g/mol, XLogP of 5.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chlorophenyl)-2-[[1-(3-hydroxy-1-phenylpropyl)piperidin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 90386351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).